SCHEMBL10906603

SCHEMBL10906603

CN(C)N(CCCCC(=O)O)C(=S)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.46
▸ PPARA Q07869 1/20 0.44
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ ICMT O60725 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ABAT P80404 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10906136 0.96 LTA4H (0.45) LTA4HPPARAHDAC2HDAC8HDAC6
SCHEMBL10905444 0.82 KMT2A (0.46) L3MBTL1ABATGAAMAPTHTT
SCHEMBL10905465 0.81 LTA4H (0.50) LTA4HPPARAICMTALBL3MBTL1
SCHEMBL10906612 0.75 HDAC6 (0.50) PPARAHDAC2HDAC8HDAC6HDAC1
SCHEMBL10905605 0.74 LMNA (0.59) GAAMAPTHTT
SCHEMBL10903598 0.74 TSHR (0.42) GAAMAPTKDM4AKDM4C
SCHEMBL10905765 0.74 HDAC8 (0.46) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL10907540 0.72 ALDH1A1 (0.36) KDM4AKDM4C
SCHEMBL10905453 0.71 MTOR (0.40) GAAMAPT
SCHEMBL10906601 0.71 GAA (0.49) HDAC2HDAC8HDAC6HDAC1HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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